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UNKNOWN STEREO
MCULE-4729904015-1
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 8 USD | 97 | 20 working days | Get Quote |
| 5 mg | 8 USD | 97 | 20 working days | Get Quote |
| 10 mg | 8 USD | 97 | 20 working days | Get Quote |
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1
MCULE-7956034964-3
- Component type: Main
-
1
MCULE-7907563410-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4729904015-1.sdf |
| SMILES | MCULE-4729904015-1.smiles |
| Standard InChI | MCULE-4729904015-1.inchi |
| InChIKey | MCULE-4729904015-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889906658 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-851440112 | AmBeed | On request | N/A | As is | by synthesis |
| P-855094679 | Toronto Research | In stock | 90 | As is | in stock |
| P-875744761 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-616208249 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-851872991 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-851930413 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-619168583 | Angene | Building Blocks in stock | 97 | Main component as a main component | 4 kg |
| P-666973060 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 483.517 |
| logP | -0.8632 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 195.75 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 68.1381 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 11 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
